0 B23R3.26139327 C=C(C)CCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000730704 [0,0,0,0,0,0|2,0,2]=4 1 B23R3.26139327 C=C(C)CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000730704 [0,0,0,0,0,0|2,0,2]=4 2 B23R3.26139327 CC(=CCOC1c2ccccc2CCc3c1cccc3)C 34a_100000025823_100000761012 [0,0,0,0,0,0|2,0,2]=4 3 B23R3.26139327 CC(=CCOC1c2ccccc2CCc3c1cccc3)C 7a_100000025823_100000761012 [0,0,0,0,0,0|2,0,2]=4 4 B23R3.26139327 CC(=O)CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000053229 [0,0,0,0,0,0|3,0,1]=4 5 B23R3.26139327 CC(=O)CCOC1c2ccccc2CCc3c1cccc3 7a_100000759926_100000031795 [0,0,0,0,0,0|3,0,1]=4 6 B23R3.26139327 CC(=O)CCSC1c2ccccc2CCc3c1cccc3 62a_100000053229_100000031795 [0,0,0,0,0,0|3,0,1]=4 7 B23R3.26139327 CC(C)CCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000210312 [0,0,0,0,0,0|2,0,1]=3 8 B23R3.26139327 CC(C)CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000210626 [0,0,0,0,0,0|2,0,1]=3 9 B23R3.26139327 CC(C)CCOC1c2ccccc2CCc3c1cccc3 7a_100000210254_100000031795 [0,0,0,0,0,0|2,0,1]=3 10 B23R3.26139327 CC(C)OCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000709892 [0,0,0,0,0,0|3,0,1]=4 11 B23R3.26139327 CC(C)OCSC1c2ccccc2CCc3c1cccc3 62a_100000709892_100000031795 [0,0,0,0,0,0|3,0,1]=4 12 B23R3.26139327 CC(O)CCNC1c2ccccc2CCc3c1cccc3 2230a_200000755665_100000031795 [0,0,0,0,0,0|3,0,1]=4 13 B23R3.26139327 CC(O)CCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100012276601 [0,0,0,0,0,0|3,0,1]=4 14 B23R3.26139327 CC(O)CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100012276601 [0,0,0,0,0,0|3,0,1]=4 15 B23R3.26139327 CC(O)CCSC1c2ccccc2CCc3c1cccc3 62a_100012276601_100000031795 [0,0,0,0,0,0|3,0,1]=4 16 B23R3.26139327 CC(O)CNN=C1c2ccccc2CCc3c1cccc3 4a_200000730056_100000061076 [0,0,0,0,0,0|4,0,0]=4 17 B23R3.26139327 CN(C)CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_200000210301 [0,0,0,0,0,0|0,0,0]=0 18 B23R3.26139327 CN(C)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_200000210301 [0,0,0,0,0,0|0,0,0]=0 19 B23R3.26139327 CN(C)CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_200000210301 [0,0,0,0,0,0|0,0,0]=0 20 B23R3.26139327 CN(C)CCOC1c2ccccc2C=Cc3c1cccc3 7a_100000036585_100000755713 [0,0,0,0,0,0|1,0,3]=4 21 B23R3.26139327 CN(C)CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000755713 [0,0,0,0,0,0|1,0,1]=2 22 B23R3.26139327 CN(C)CCOC1c2ccccc2CSc3c1cccc3 7a_100025745337_100000755713 [0,0,0,0,0,0|2,0,1]=3 23 B23R3.26139327 CN([13CH3])CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_200025704644 [0,0,0,0,0,0|0,0,0]=0 24 B23R3.26139327 CN([13CH3])CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_200025704644 [0,0,0,0,0,0|0,0,0]=0 25 B23R3.26139327 CN([13CH3])CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_200025704644 [0,0,0,0,0,0|0,0,0]=0 26 B22R3.12627361 CCCCNC1c2ccccc2CCc3c1cccc3 2230a_100000102301_100000031795 [1,0,0,0,0,0|2,0,1]=4 27 B22R3.12627361 CCCCNC1c2ccccc2CCc3c1cccc3 7a_106832991798_100000031795 [1,0,0,0,0,0|2,0,1]=4 28 B22R3.12627361 CCCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000210210 [1,0,0,0,0,0|2,0,1]=4 29 B22R3.12627361 CCCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000210211 [1,0,0,0,0,0|2,0,1]=4 30 B22R3.12627361 CCCCOC1c2ccccc2CCc3c1cccc3 7a_100000210227_100000031795 [1,0,0,0,0,0|2,0,1]=4 31 B22R3.12627361 CCCNN=C1c2ccccc2CCc3c1cccc3 4a_100000740057_100000061076 [1,0,0,0,0,0|3,0,0]=4 32 B22R3.12627361 COCCNC1c2ccccc2CCc3c1cccc3 2230a_100000209980_100000031795 [1,0,0,0,0,0|2,0,1]=4 33 B22R3.12627361 COCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100011201679 [1,0,0,0,0,0|2,0,1]=4 34 B22R3.12627361 COCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000233755 [1,0,0,0,0,0|2,0,1]=4 35 B22R3.12627361 COCCSC1c2ccccc2CCc3c1cccc3 62a_100000233755_100000031795 [1,0,0,0,0,0|2,0,1]=4 36 B22R3.12627361 CSCCNC1c2ccccc2CCc3c1cccc3 2230a_100020590264_100000031795 [1,0,0,0,0,0|2,0,1]=4 37 B22R3.12627361 CSCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000212216 [1,0,0,0,0,0|2,0,1]=4 38 B22R3.12627361 CSCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000212216 [1,0,0,0,0,0|2,0,1]=4 39 B22R3.12627361 CSCCOC1c2ccccc2CCc3c1cccc3 7a_100000230434_100000031795 [1,0,0,0,0,0|2,0,1]=4 40 B22R3.12627361 CSCCSC1c2ccccc2CCc3c1cccc3 62a_100000212216_100000031795 [1,0,0,0,0,0|2,0,1]=4 41 B24R3.40764905 CC(CO)CCNC1c2ccccc2CCc3c1cccc3 2230a_106354213184_100000031795 [0,1,0,0,0,0|2,0,1]=4 42 B24R3.40764905 CCC(C)CCNC1c2ccccc2CCc3c1cccc3 2230a_100020591266_100000031795 [0,1,0,0,0,0|2,0,1]=4 43 B24R3.40764905 CCN(C)CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_100000210202 [0,1,0,0,0,0|0,0,0]=1 44 B24R3.40764905 CCN(C)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_100000204670 [0,1,0,0,0,0|0,0,0]=1 45 B24R3.40764905 CCN(C)CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_100000210202 [0,1,0,0,0,0|0,0,0]=1 46 B24R3.40764905 CN(CF)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_100015361967 [0,1,0,0,0,0|0,0,0]=1 47 B24R3.40764905 CN(CF)CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_100015361967 [0,1,0,0,0,0|0,0,0]=1 48 B24R3.40764905 COC(C)CCOC1c2ccccc2CCc3c1cccc3 7a_100000764861_100000031795 [0,1,0,0,0,0|2,0,1]=4 49 B24R3.59644757 CC(C)C(O)CNC1c2ccccc2CCc3c1cccc3 2230a_100000759067_100000031795 [0,1,0,0,0,0|2,0,1]=4 50 B24R3.59644757 CN(C)C(=O)CNC1c2ccccc2CCc3c1cccc3 2230a_100015183351_100000031795 [0,1,0,0,0,0|1,0,2]=4 51 B24R3.59644757 CN(C)C(=O)COC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000692301 [0,1,0,0,0,0|1,0,2]=4 52 B24R3.59644757 CN(C)C(=O)COC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000692301 [0,1,0,0,0,0|1,0,2]=4 53 B24R3.59644757 CN(C)C(=O)CSC1c2ccccc2CCc3c1cccc3 62a_100000692301_100000031795 [0,1,0,0,0,0|1,0,2]=4 54 B24R3.65582311 CC(=O)CCC(=O)N1c2ccccc2CCc3c1cccc3 1458a_100000070787_200020598663 [0,1,0,0,0,0|3,0,0]=4 55 B24R3.65582311 CC(C)CCN(C)C1c2ccccc2CCc3c1cccc3 2230a_100000742789_100000031795 [0,1,0,0,0,0|2,0,1]=4 56 B24R3.65582311 CC(C)CCN(C)C1c2ccccc2CCc3c1cccc3 269982a_100000742789_100000031795 [0,1,0,0,0,0|2,0,1]=4 57 B24R3.65582311 CC(C)NCC(=O)N1c2ccccc2CCc3c1cccc3 2230a_100138425928_200000596418 [0,1,0,0,0,0|3,0,0]=4 58 B24R3.65582311 CC(C)NCC(=O)N1c2ccccc2CCc3c1cccc3 34a_100138425928_200000596418 [0,1,0,0,0,0|3,0,0]=4 59 B24R3.65582311 CC(C)OCC(=O)N1c2ccccc2CCc3c1cccc3 34a_100000212225_200000596418 [0,1,0,0,0,0|3,0,0]=4 60 B24R3.65582311 CC(C)SCC(=O)N1c2ccccc2CCc3c1cccc3 62a_100000210206_200000596418 [0,1,0,0,0,0|3,0,0]=4 61 B24R3.65582311 CN(C)CCC(=O)N1c2ccccc2CCc3c1cccc3 2230a_100102631434_200020598663 [0,1,0,0,0,0|1,0,0]=2 62 B24R3.65582311 CN(C)CCC(=O)N1c2ccccc2CCc3c1cccc3 269982a_100102631434_200020598663 [0,1,0,0,0,0|1,0,0]=2 63 B24R3.65582311 CN(C)CCN(C)C1c2ccccc2CCc3c1cccc3 269982a_100000225618_100000031795 [0,1,0,0,0,0|1,0,1]=3 64 B24R3.115675198 CC(C)CC(C)NC1c2ccccc2CCc3c1cccc3 2230a_100000692259_100000031795 [0,1,0,0,0,0|2,0,1]=4 65 B24R3.115675198 CC(CN(C)C)SC1c2ccccc2CCc3c1cccc3 62a_100020606517_100000031795 [0,1,0,0,0,0|1,0,1]=3 66 B24R3.1505225918 CC(C)(C)CCNC1c2ccccc2CCc3c1cccc3 2230a_100000738805_100000031795 [0,1,0,0,0,0|2,0,1]=4 67 B24R3.1505225918 CC(C)(F)CCNC1c2ccccc2CCc3c1cccc3 2230a_100016253952_100000031795 [0,1,0,0,0,0|2,0,1]=4 68 B24R3.1505225918 CC(C)(O)CCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000702414 [0,1,0,0,0,0|2,0,1]=4 69 B24R3.1505225918 CC(C)(O)CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000702414 [0,1,0,0,0,0|2,0,1]=4 70 B24R3.1505225918 CC(C)(O)CCSC1c2ccccc2CCc3c1cccc3 62a_100000702414_100000031795 [0,1,0,0,0,0|2,0,1]=4 71 B24R3.1505225918 C[N+](C)(C)CCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000085578 [0,1,0,0,0,0|1,0,2]=4 72 B24R3.1505225918 C[N+](C)(C)CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000085578 [0,1,0,0,0,0|1,0,2]=4 73 B24R3.1505225918 C[N+](C)(C)CCOC1c2ccccc2CCc3c1cccc3 7a_200020618287_100000031795 [0,1,0,0,0,0|1,0,2]=4 74 B24R3.1505225918 C[N+](C)(C)CCSC1c2ccccc2CCc3c1cccc3 62a_100000085578_100000031795 [0,1,0,0,0,0|1,0,2]=4 75 B22R2.26914 CN(C)CCCNc1ccccc1COc2ccccc2 7a_100000742786_100000757444 [0,0,1,0,0,0|2,0,1]=4 76 B22R2.26914 CN(C)CCCNc1ccccc1SCc2ccccc2 7a_100000198535_100000757444 [0,0,1,0,0,0|2,0,1]=4 77 B22R2.26914 CN(C)CCCOc1ccccc1CNc2ccccc2 207a_100000106764_100015183612 [0,0,1,0,0,0|2,0,1]=4 78 B22R2.26914 CN(C)CCCOc1ccccc1CNc2ccccc2 270302a_100000106764_100015183612 [0,0,1,0,0,0|2,0,1]=4 79 B22R2.26914 CN(C)CCCOc1ccccc1OCc2ccccc2 7a_100000187230_100000757444 [0,0,1,0,0,0|2,0,1]=4 80 B22R2.26914 CN(C)CCCSc1ccccc1OCc2ccccc2 62a_100000151716_100000757444 [0,0,1,0,0,0|2,0,1]=4 81 B22R2.26914 CN(C)CCNCc1ccccc1OCc2ccccc2 207a_100000210585_100000151772 [0,0,1,0,0,0|2,0,1]=4 82 B22R2.26914 CN(C)CCNCc1ccccc1OCc2ccccc2 270004a_100000210585_100000151772 [0,0,1,0,0,0|2,0,1]=4 83 B22R2.26914 CN(C)CCOCc1ccccc1CCc2ccccc2 7a_200000042600_100000755713 [0,0,1,0,0,0|1,0,1]=3 84 B22R2.26914 CN(C)CCOCc1ccccc1OCc2ccccc2 7a_100000187657_100000755713 [0,0,1,0,0,0|2,0,1]=4 85 B22R2.604399 COc1ccccc1C(NCCN(C)C)c2ccccc2 270004a_100000210585_100011218802 [0,0,1,0,0,0|2,0,1]=4 86 B24R4.7210012 c1ccc2c(c1)CCc3ccccc3C2=NNCC4CC4 4a_100000736359_100000061076 [0,0,0,1,0,0|3,0,0]=4 87 B24R4.7210012 c1ccc2c(c1)CCc3ccccc3C2OCCC4CC4 34a_100000025823_100000694398 [0,0,0,1,0,0|2,0,1]=4 88 B24R4.7210012 c1ccc2c(c1)CCc3ccccc3C2OCCC4CC4 7a_100000025823_100000764125 [0,0,0,1,0,0|2,0,1]=4 89 B24R4.7210012 c1ccc2c(c1)CCc3ccccc3C2OCCC4CC4 7a_100000754188_100000031795 [0,0,0,1,0,0|2,0,1]=4 90 B24R4.13494943 C[C@@H]1CCN(C1)C2c3ccccc3CCc4c2cccc4 2230a_100016987628_100000031795 [0,0,0,1,0,0|2,0,1]=4 91 B24R4.13494943 C[C@@H]1CCN(C1)C2c3ccccc3CCc4c2cccc4 269982a_100016987628_100000031795 [0,0,0,1,0,0|2,0,1]=4 92 B24R4.36422563 CC1CC1COC2c3ccccc3CCc4c2cccc4 7a_100000744939_100000031795 [0,0,0,1,0,0|2,0,1]=4 93 B22R3.12307660 CC(C)CNC1c2ccccc2CCc3c1cccc3 2230a_100000210953_100000031795 [0,0,0,0,1,0|2,0,1]=4 94 B22R3.12307660 CC(C)COC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000210624 [0,0,0,0,1,0|2,0,1]=4 95 B22R3.12307660 CC(C)COC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000210760 [0,0,0,0,1,0|2,0,1]=4 96 B22R3.12307660 CC(C)NN=C1c2ccccc2CCc3c1cccc3 4a_100000741168_100000061076 [0,0,0,0,1,0|3,0,0]=4 97 B22R3.16182945 CN(C)CCOC1c2ccccc2Oc3c1cccc3 7a_100000210167_100000755713 [0,0,0,0,1,0|2,0,1]=4 98 B22R3.16182945 CN(C)CCSc1c2ccccc2nc3c1cccc3 62a_100000044299_100000755713 [0,0,0,0,1,0|2,0,0]=3 99 B24R3.28516359 CC(C)CCCNC1c2ccccc2CCc3c1cccc3 2230a_200000737386_100000031795 [0,0,0,0,0,1|1,0,2]=4 100 B24R3.28516359 CC(C)OCCNC1c2ccccc2CCc3c1cccc3 2230a_100000701111_100000031795 [0,0,0,0,0,1|2,0,1]=4 101 B24R3.28516359 CC(C)OCCOC1c2ccccc2CCc3c1cccc3 34a_100000025823_100000211751 [0,0,0,0,0,1|2,0,1]=4 102 B24R3.28516359 CC(C)OCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000211751 [0,0,0,0,0,1|2,0,1]=4 103 B24R3.28516359 CC(C)OCCOC1c2ccccc2CCc3c1cccc3 7a_100000211219_100000031795 [0,0,0,0,0,1|2,0,1]=4 104 B24R3.28516359 CC(C)SCCNC1c2ccccc2CCc3c1cccc3 2230a_100000731138_100000031795 [0,0,0,0,0,1|2,0,1]=4 105 B24R3.28516359 CN(C)CCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000757444 [0,0,0,0,0,1|0,0,2]=3 106 B24R3.28516359 CN(C)CCCOC1c2ccccc2CSc3c1cccc3 7a_100025745337_100000757444 [0,0,0,0,0,1|1,0,2]=4 107 B21R2.205989 Cc1ccccc1C(NCCN(C)C)c2ccccc2 270004a_100000210585_100000735561 [1,0,1,0,0,0|1,0,1]=4 108 B21R2.205989 Cc1ccccc1C(OCCN(C)C)c2ccccc2 7a_100000212071_100000755713 [1,0,1,0,0,0|1,0,1]=4 109 B21R2.205989 Cc1ccccc1C(SCCN(C)C)c2ccccc2 62a_100000230135_100000755713 [1,0,1,0,0,0|1,0,1]=4 110 B23R2.472034 CC(C)CCNC(=O)c1ccccc1CCc2ccccc2 11a_100000210545_100000610640 [0,1,1,0,0,0|2,0,0]=4 111 B23R2.472034 CC(C)CCNC(=O)c1ccccc1CCc2ccccc2 1626a_100000210545_100000610640 [0,1,1,0,0,0|2,0,0]=4 112 B23R2.472034 CC(C)CCNC(=O)c1ccccc1CCc2ccccc2 240690a_100000210545_100000610640 [0,1,1,0,0,0|2,0,0]=4 113 B23R2.472034 CC(C)CCNC(=O)c1ccccc1CCc2ccccc2 527a_100000210545_100000610640 [0,1,1,0,0,0|2,0,0]=4 114 B23R2.472034 CN(C)CCCC(=O)c1ccccc1CCc2ccccc2 1458a_100000610640_100000695564 [0,1,1,0,0,0|0,0,1]=3 115 B23R2.472034 CN(C)CCCC(=O)c1ccccc1COc2ccccc2 1458a_100000272412_100000695564 [0,1,1,0,0,0|1,0,1]=4 116 B23R2.472034 CN(C)CCCC(=O)c1ccccc1CSc2ccccc2 1458a_100000292687_100000695564 [0,1,1,0,0,0|1,0,1]=4 117 B23R2.472034 CN(C)CCCC(=O)c1ccccc1OCc2ccccc2 1458a_100000183716_100000695564 [0,1,1,0,0,0|1,0,1]=4 118 B23R2.472034 CN(C)CCNC(=O)c1ccccc1CCc2ccccc2 240690a_100000210585_100000610640 [0,1,1,0,0,0|1,0,0]=3 119 B23R2.472034 CN(C)CCNC(=O)c1ccccc1CCc2ccccc2 527a_100000210585_100000610640 [0,1,1,0,0,0|1,0,0]=3 120 B23R2.472034 CN(C)CCNC(=O)c1ccccc1COc2ccccc2 240690a_100000210585_100000272412 [0,1,1,0,0,0|2,0,0]=4 121 B23R2.472034 CN(C)CCNC(=O)c1ccccc1COc2ccccc2 527a_100000210585_100000272412 [0,1,1,0,0,0|2,0,0]=4 122 B23R2.472034 CN(C)CCNC(=O)c1ccccc1CSc2ccccc2 240690a_100000210585_100000292687 [0,1,1,0,0,0|2,0,0]=4 123 B23R2.472034 CN(C)CCNC(=O)c1ccccc1OCc2ccccc2 240690a_100000210585_100000183716 [0,1,1,0,0,0|2,0,0]=4 124 B23R2.472034 CN(C)CCNC(=O)c1ccccc1OCc2ccccc2 527a_100000210585_100000183716 [0,1,1,0,0,0|2,0,0]=4 125 B23R2.472552 CN(C)CCC(=O)Nc1ccccc1CCc2ccccn2 11a_200000071813_100000689311 [0,1,1,0,0,0|2,0,0]=4 126 B23R2.472552 CN(C)CCC(=O)Nc1ccccc1CCc2ccccn2 22a_200000071813_100000689311 [0,1,1,0,0,0|2,0,0]=4 127 B23R2.472552 CN(C)CCC(=O)Nc1ccccc1CCc2ccccn2 527a_200000071813_100000689311 [0,1,1,0,0,0|2,0,0]=4 128 B23R2.472552 CN(C)CCC(=O)Nc1ccccc1COc2ccccc2 11a_100000742786_100000689311 [0,1,1,0,0,0|2,0,0]=4 129 B23R2.472552 CN(C)CCC(=O)Nc1ccccc1COc2ccccc2 22a_100000742786_100000689311 [0,1,1,0,0,0|2,0,0]=4 130 B23R2.472552 CN(C)CCC(=O)Nc1ccccc1COc2ccccc2 527a_100000742786_100000689311 [0,1,1,0,0,0|2,0,0]=4 131 B23R2.472552 CN(C)CCC(=O)Nc1ccccc1OCc2ccccc2 11a_100011193923_100000689311 [0,1,1,0,0,0|2,0,0]=4 132 B23R2.472552 CN(C)CCC(=O)Nc1ccccc1OCc2ccccc2 22a_100011193923_100000689311 [0,1,1,0,0,0|2,0,0]=4 133 B23R2.472552 CN(C)CCC(=O)Nc1ccccc1OCc2ccccc2 527a_100011193923_100000689311 [0,1,1,0,0,0|2,0,0]=4 134 B23R2.472552 CN(C)CCC(=O)Nc1ccccc1SCc2ccccc2 11a_100000198535_100000689311 [0,1,1,0,0,0|2,0,0]=4 135 B23R2.472552 CN(C)CCC(=O)Nc1ccccc1SCc2ccccc2 22a_100000198535_100000689311 [0,1,1,0,0,0|2,0,0]=4 136 B23R3.25657126 CCCCNN=C1c2ccccc2CCc3c1cccc3 4a_100025702795_100000061076 [1,1,0,0,0,0|2,0,0]=4 137 B23R3.32306063 CNCCC(=O)N1c2ccccc2CCc3c1cccc3 2230a_106832991635_200020598663 [1,1,0,0,0,0|1,0,0]=3 138 B23R3.32306063 CNCCC(=O)N1c2ccccc2CCc3c1cccc3 7a_106832991635_200020598663 [1,1,0,0,0,0|1,0,0]=3 139 B23R3.32306063 CSCCC(=O)N1c2ccccc2CCc3c1cccc3 62a_200000210301_200020598663 [1,1,0,0,0,0|2,0,0]=4 140 B23R3.32306063 [13CH3]SCCC(=O)N1c2ccccc2CCc3c1cccc3 62a_200025704644_200020598663 [1,1,0,0,0,0|2,0,0]=4 141 B23R3.71811993 CN(C)CC(=O)N1c2ccccc2CCc3c1cccc3 2230a_100102631434_200000596418 [0,1,0,0,1,0|1,0,0]=3 142 B23R3.71811993 CN(C)CC(=O)N1c2ccccc2CCc3c1cccc3 269982a_100102631434_200000596418 [0,1,0,0,1,0|1,0,0]=3 143 B23R3.41925352 CC(C)CCC(=O)C1c2ccccc2Cc3c1cccc3 1458a_200020600205_100000210312 [0,1,0,0,1,0|1,0,1]=4 144 B23R3.41925352 CN(C)CCC(=O)N1c2ccccc2Sc3c1cccc3 2230a_100102631434_200015341630 [0,1,0,0,1,0|2,0,0]=4 145 B23R3.41925352 CN(C)CCC(=O)N1c2ccccc2Sc3c1cccc3 269982a_100102631434_200015341630 [0,1,0,0,1,0|2,0,0]=4 146 B23R3.71886310 CC(CN(C)C)Sc1c2ccccc2nc3c1cccc3 62a_100000044299_100020606517 [0,1,0,0,1,0|2,0,0]=4 147 B25R3.46981908 CCN(C)CCCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100015186262 [0,1,0,0,0,1|0,0,2]=4 148 B25R3.66670882 CC(=O)N(C)CCC=C1c2ccccc2CCc3c1cccc3 11a_100000735373_100015343762 [0,1,0,0,0,1|2,0,0]=4 149 B25R3.66670882 CC(=O)N(C)CCC=C1c2ccccc2CCc3c1cccc3 1626a_100000735373_100015343762 [0,1,0,0,0,1|2,0,0]=4 150 B25R3.66670882 CC(=O)N(C)CCC=C1c2ccccc2CCc3c1cccc3 240690a_100000735373_100015343762 [0,1,0,0,0,1|2,0,0]=4 151 B25R3.66670882 CC(=O)N(C)CCC=C1c2ccccc2CCc3c1cccc3 527a_100000735373_100103153847 [0,1,0,0,0,1|2,0,0]=4 152 B25R3.66670882 CC(C)N(C)CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_100000210206 [0,1,0,0,0,1|1,0,0]=3 153 B25R3.66670882 CC(C)N(C)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_100000210206 [0,1,0,0,0,1|1,0,0]=3 154 B25R3.66670882 CC(C)N(C)CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_100000210206 [0,1,0,0,0,1|1,0,0]=3 155 B25R3.66670882 CN(C)C(=O)CCNC1c2ccccc2CCc3c1cccc3 2230a_100000738053_100000031795 [0,1,0,0,0,1|1,0,1]=4 156 B25R3.66670882 CN(C)C(=O)CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000737620 [0,1,0,0,0,1|1,0,1]=4 157 B25R3.66670882 CN(C)C(=O)CCSC1c2ccccc2CCc3c1cccc3 62a_100000737620_100000031795 [0,1,0,0,0,1|1,0,1]=4 158 B25R3.120010569 CC(COC1c2ccccc2CCc3c1cccc3)CN(C)C 7a_100000025823_100015348159 [0,1,0,0,0,1|0,0,2]=4 159 B25R3.120010569 CC(CSC1c2ccccc2CCc3c1cccc3)CN(C)C 62a_100015348159_100000031795 [0,1,0,0,0,1|0,0,2]=4 160 B25R3.120010569 CN(C)CC(=O)NN=C1c2ccccc2CCc3c1cccc3 4a_100000750941_100000061076 [0,1,0,0,0,1|1,0,1]=4 161 B25R3.230826632 CC(C)CNCC(=O)N1c2ccccc2CCc3c1cccc3 2230a_100000210953_200000596418 [0,1,0,0,0,1|2,0,0]=4 162 B25R3.230826632 CC(C)CNCC(=O)N1c2ccccc2CCc3c1cccc3 34a_100000210953_200000596418 [0,1,0,0,0,1|2,0,0]=4 163 B25R3.230826632 CC(C)COCC(=O)N1c2ccccc2CCc3c1cccc3 34a_100000210257_200000596418 [0,1,0,0,0,1|2,0,0]=4 164 B25R3.230826632 CC(C)CSCC(=O)N1c2ccccc2CCc3c1cccc3 62a_100000210624_200000596418 [0,1,0,0,0,1|2,0,0]=4 165 B25R3.230826632 CC(C)NCCC(=O)N1c2ccccc2CCc3c1cccc3 2230a_100138425928_200020598663 [0,1,0,0,0,1|2,0,0]=4 166 B25R3.230826632 CC(C)SCCC(=O)N1c2ccccc2CCc3c1cccc3 62a_100000210206_200020598663 [0,1,0,0,0,1|2,0,0]=4 167 B25R3.230826632 CN(C)CCCN(C)C1c2ccccc2CCc3c1cccc3 269982a_100000225831_100000031795 [0,1,0,0,0,1|0,0,2]=4 168 B25R3.57381326 C#CCN(C)CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_100000038162 [0,2,0,0,0,0|0,0,0]=2 169 B25R3.57381326 C#CCN(C)CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_100000184674 [0,2,0,0,0,0|0,0,0]=2 170 B25R3.57381326 C=CCN(C)CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_100000210623 [0,2,0,0,0,0|0,0,0]=2 171 B25R3.57381326 C=CCN(C)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_100000210623 [0,2,0,0,0,0|0,0,0]=2 172 B25R3.57381326 C=CCN(C)CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_100015514636 [0,2,0,0,0,0|0,0,0]=2 173 B25R3.57381326 CCCN(C)CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_100000210303 [0,2,0,0,0,0|0,0,0]=2 174 B25R3.57381326 CCCN(C)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_100000210303 [0,2,0,0,0,0|0,0,0]=2 175 B25R3.57381326 CCCN(C)CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_100000210303 [0,2,0,0,0,0|0,0,0]=2 176 B25R3.57381326 CN(CC#N)CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_100011215382 [0,2,0,0,0,0|0,0,0]=2 177 B25R3.57381326 CN(CC#N)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_100011214920 [0,2,0,0,0,0|0,0,0]=2 178 B25R3.57381326 CN(CC=O)CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_200015260668 [0,2,0,0,0,0|0,0,0]=2 179 B25R3.57381326 CN(CC=O)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_200015260668 [0,2,0,0,0,0|0,0,0]=2 180 B25R3.57381326 CN(CC=O)CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_200009817547 [0,2,0,0,0,0|0,0,0]=2 181 B25R3.57381326 CN(CCF)CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_100011217306 [0,2,0,0,0,0|0,0,0]=2 182 B25R3.57381326 CN(CCF)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_100011217306 [0,2,0,0,0,0|0,0,0]=2 183 B25R3.57381326 CN(CCF)CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_100011217306 [0,2,0,0,0,0|0,0,0]=2 184 B25R3.57381326 CN(CCO)CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_100000211926 [0,2,0,0,0,0|0,0,0]=2 185 B25R3.57381326 CN(CCO)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_100000211926 [0,2,0,0,0,0|0,0,0]=2 186 B25R3.57381326 CN(CCO)CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_100000211926 [0,2,0,0,0,0|0,0,0]=2 187 B25R3.57381326 COCN(C)CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_100000766300 [0,2,0,0,0,0|0,0,0]=2 188 B25R3.57381326 COCN(C)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_100000766300 [0,2,0,0,0,0|0,0,0]=2 189 B25R3.57381326 CSCN(C)CCC=C1c2ccccc2CCc3c1cccc3 2230a_100000735373_100011218213 [0,2,0,0,0,0|0,0,0]=2 190 B25R3.57381326 CSCN(C)CCC=C1c2ccccc2CCc3c1cccc3 269982a_100000735373_100011218213 [0,2,0,0,0,0|0,0,0]=2 191 B25R3.57381326 CSCN(C)CCC=C1c2ccccc2CCc3c1cccc3 34a_100000735373_100011218213 [0,2,0,0,0,0|0,0,0]=2 192 B25R3.58350220 CCN(C)C(C)COC1c2ccccc2CCc3c1cccc3 7a_100000732741_100000031795 [0,2,0,0,0,0|1,0,1]=4 193 B25R3.123138604 CCN(CC)CCNC1c2ccccc2CCc3c1cccc3 2230a_100015382049_100000031795 [0,2,0,0,0,0|1,0,1]=4 194 B25R3.123138604 CCN(CC)CCOC1c2ccccc2CCc3c1cccc3 7a_100000025823_100000700428 [0,2,0,0,0,0|1,0,1]=4 195 B25R3.123138604 CCN(CC)CCOC1c2ccccc2CCc3c1cccc3 7a_100016990331_100000031795 [0,2,0,0,0,0|1,0,1]=4 196 B25R3.129016596 CCN(C)CCC(=O)N1c2ccccc2CCc3c1cccc3 2230a_100000225621_200020598663 [0,2,0,0,0,0|1,0,0]=3 197 B25R3.129016596 CCN(C)CCC(=O)N1c2ccccc2CCc3c1cccc3 269982a_100000225621_200020598663 [0,2,0,0,0,0|1,0,0]=3 198 B25R3.256813434 CCN(CCN(C)C)C1c2ccccc2CCc3c1cccc3 269982a_100000225870_100000031795 [0,2,0,0,0,0|1,0,1]=4 199 B25R3.231540767 CN(C)CC(C)(C)NC1c2ccccc2CCc3c1cccc3 2230a_100015183317_100000031795 [0,2,0,0,0,0|1,0,1]=4 200 B23R3.49764 CN(C)CCN1CCc2ccccc2[C@@H]1c3ccccc3 269982a_100010197342_100000755713 [0,0,1,1,0,0|1,0,1]=4 201 B25R4.17937559 CN1CCC(C1)OC2c3ccccc3CCc4c2cccc4 7a_100000025823_200012183744 [0,0,0,1,0,1|0,0,2]=4 202 B25R4.17983575 CN1CCN(CC1)C2c3ccccc3CCc4c2cccc4 2230a_100000188432_100000031795 [0,1,0,1,0,0|1,0,1]=4 203 B25R4.17983575 CN1CCN(CC1)C2c3ccccc3CCc4c2cccc4 269982a_100000188432_100000031795 [0,1,0,1,0,0|1,0,1]=4 204 B25R4.81640806 CCN1CC(C1)NC2c3ccccc3CCc4c2cccc4 2230a_200015199589_100000031795 [0,1,0,1,0,0|1,0,1]=4 205 B25R4.439435775 CN(C)C1CN(C1)C2c3ccccc3CCc4c2cccc4 269982a_100000694738_100000031795 [0,1,0,1,0,0|1,0,1]=4 206 B21R2.12800 CN(C)CCCNc1ccccc1Cc2ccccc2 7a_100000211252_100000757444 [0,0,1,0,1,0|1,0,1]=4 207 B21R2.12800 CN(C)CCCOc1ccccc1Cc2ccccc2 7a_100000211249_100000757444 [0,0,1,0,1,0|1,0,1]=4 208 B21R2.12800 CN(C)CCCSc1ccccc1Cc2ccccc2 62a_200011216382_100000757444 [0,0,1,0,1,0|1,0,1]=4 209 B21R2.12800 CN(C)CCNCc1ccccc1Cc2ccccc2 207a_100000210585_100009842342 [0,0,1,0,1,0|1,0,1]=4 210 B21R2.12800 CN(C)CCNCc1ccccc1Cc2ccccc2 270004a_100000210585_100009842342 [0,0,1,0,1,0|1,0,1]=4 211 B21R2.12800 CN(C)CCSCc1ccccc1Cc2ccccc2 62a_100010254464_100000755713 [0,0,1,0,1,0|1,0,1]=4 212 B21R2.13007 CN(C)CCNc1ccccc1COc2ccccc2 7a_100000742786_100000755713 [0,0,1,0,1,0|2,0,0]=4 213 B21R2.13007 CN(C)CCNc1ccccc1SCc2ccccc2 7a_100000198535_100000755713 [0,0,1,0,1,0|2,0,0]=4 214 B21R2.13007 CN(C)CCOc1ccccc1CNc2ccccc2 207a_100000106764_200011232682 [0,0,1,0,1,0|2,0,0]=4 215 B21R2.13007 CN(C)CCOc1ccccc1CNc2ccccc2 270302a_100000106764_200011232682 [0,0,1,0,1,0|2,0,0]=4 216 B21R2.13007 CN(C)CCOc1ccccc1OCc2ccccc2 7a_100000187230_100000755713 [0,0,1,0,1,0|2,0,0]=4 217 B21R2.13007 CN(C)CCOc1ccccc1SCc2ccccc2 62a_100000211182_100102946404 [0,0,1,0,1,0|2,0,0]=4 218 B21R2.13007 CN(C)CCOc1ccccc1SCc2ccccc2 62a_100102946404_100015291786 [0,0,1,0,1,0|2,0,0]=4 219 B21R2.13007 CN(C)CCSc1ccccc1OCc2ccccc2 62a_100000151716_100000755713 [0,0,1,0,1,0|2,0,0]=4 220 B23R2.186861 CN(C)CCCOCc1ccccc1CCc2ccccc2 7a_200000042600_100000757444 [0,0,1,0,0,1|0,0,2]=4 221 B23R2.468396 CN(C)CCCOc1ccccc1CNCc2ccccc2 207a_100015324214_100015183612 [0,0,1,0,0,1|1,0,1]=4 222 B23R2.468396 CN(C)CCCOc1ccccc1CNCc2ccccc2 207a_200011280557_100015611070 [0,0,1,0,0,1|1,0,1]=4 223 B23R2.468396 CN(C)CCCOc1ccccc1CNCc2ccccc2 270004a_100015324214_100015183612 [0,0,1,0,0,1|1,0,1]=4 224 B23R2.468396 CN(C)CCCOc1ccccc1CNCc2ccccc2 270004a_200011280557_100015611070 [0,0,1,0,0,1|1,0,1]=4 225 B23R2.468396 CN(C)CCCSc1ccccc1CNCc2ccccc2 62a_200000195884_100000757444 [0,0,1,0,0,1|1,0,1]=4 226 B23R3.19159989 CN(C)CCCSc1c2ccccc2nc3c1cccc3 62a_100000044299_100000757444 [0,0,0,0,1,1|1,0,1]=4 227 B23R3.19159989 CN(C)CCNCc1c2ccccc2cc3c1cccc3 207a_100000210585_100000261405 [0,0,0,0,1,1|0,0,2]=4 228 B23R3.19159989 CN(C)CCNCc1c2ccccc2cc3c1cccc3 270004a_100000210585_100000261405 [0,0,0,0,1,1|0,0,2]=4 229 B23R3.19159989 CN(C)CCOCc1c2ccccc2cc3c1cccc3 7a_100000025838_100000755713 [0,0,0,0,1,1|0,0,2]=4 230 B23R3.19159989 CN(C)CCSCc1c2ccccc2cc3c1cccc3 62a_100009992879_100000755713 [0,0,0,0,1,1|0,0,2]=4 231 B23R3.19159989 CN(C)CCSCc1c2ccccc2nc3c1cccc3 62a_100009813545_100000755713 [0,0,0,0,1,1|1,0,1]=4